SCHEMBL5664934

SCHEMBL5664934

CCN(CCC(N)=O)C(=O)[CH]c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5664796 0.86 TUBB4A (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5663580 0.84 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5664989 0.79 L3MBTL1 (0.50) ALDH1A1HPGDHSD17B10NPC1L3MBTL1
SCHEMBL5666577 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5664570 0.78 ALDH1A1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5665183 0.74 KDM4E (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5664609 0.74 CYP1A2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL176731 0.71 MEN1 (0.56) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL4984172 0.70 TP53 (0.42) ALDH1A1HSD17B10NPC1L3MBTL1TDP1
SCHEMBL5664580 0.70 HDAC3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed